Detailed information for compound 1068577

Basic information

Technical information
  • TDR Targets ID: 1068577
  • Name: N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-1- (4-morpholin-4-ylphenyl)-2-oxoethyl]furan-2-c arboxamide
  • MW: 515.6 | Formula: C30H33N3O5
  • H donors: 1 H acceptors: 3 LogP: 4.08 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(C(N(C(=O)c1ccco1)c1ccc(cc1)C(=O)C)c1ccc(cc1)N1CCOCC1)NC1CCCC1
  • InChi: 1S/C30H33N3O5/c1-21(34)22-8-14-26(15-9-22)33(30(36)27-7-4-18-38-27)28(29(35)31-24-5-2-3-6-24)23-10-12-25(13-11-23)32-16-19-37-20-17-32/h4,7-15,18,24,28H,2-3,5-6,16-17,19-20H2,1H3,(H,31,35)
  • InChiKey: JWLHWSQHXASUSQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-1-(4-morpholinophenyl)-2-oxo-ethyl]furan-2-carboxamide
  • N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-1-(4-morpholinophenyl)-2-oxoethyl]-2-furancarboxamide
  • N-(4-acetylphenyl)-N-[2-(cyclopentylamino)-2-keto-1-(4-morpholinophenyl)ethyl]-2-furamide
  • N-[2-(cyclopentylamino)-1-(4-morpholin-4-ylphenyl)-2-oxo-ethyl]-N-(4-ethanoylphenyl)furan-2-carboxamide
  • ASN 05256071
  • MLS000688403
  • SMR000284335

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens fatty acid synthase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans polyketide synthase Pks9 Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii type I fatty acid synthase, putative Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) acyl carrier protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Polyketide synthase Pks2 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks3 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks8 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Polyketide synthase Pks12 Get druggable targets OG5_126633 All targets in OG5_126633
Neospora caninum Short-chain dehydrogenase/reductase SDR, related Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium parvum polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae Polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Onchocerca volvulus Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsB Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks7 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks9 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas Get druggable targets OG5_126633 All targets in OG5_126633
Neospora caninum KR domain domain-containing protein, putative Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Neospora caninum Soraphen polyketide synthase A, related Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks1 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae Probable polyketide synthase Pks1 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii AMP-binding enzyme domain-containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks4 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks5 Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii type I fatty acid synthase, putative Get druggable targets OG5_126633 All targets in OG5_126633
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium parvum type I fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii type I fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Onchocerca volvulus Fatty acid synthase homolog Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsE Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable polyketide synthase Pks15 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 Get druggable targets OG5_126633 All targets in OG5_126633
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Conserved protein 0.0035 0.0849 0.1087
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.182 0.6021
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0281 0.051
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0849 0.0618
Mycobacterium ulcerans thioesterase 0.0025 0.047 0.0507
Loa Loa (eye worm) hypothetical protein 0.002 0.0281 0.0766
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0281 0.0051
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0281 0.0766
Trypanosoma brucei unspecified product 0.0019 0.0246 0.0738
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0246 0.0738
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.003 0.0653 0.0848
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0281 0.051
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.0653 0.0922
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.1228 0.1006
Schistosoma mansoni serine/threonine protein kinase 0.0093 0.2932 0.3966
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0057 0.1634 0.5356
Loa Loa (eye worm) beta-lactamase 0.0035 0.0849 0.2745
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0081 0.2527 0.3369
Loa Loa (eye worm) hypothetical protein 0.0035 0.0849 0.2745
Brugia malayi beta-lactamase family protein 0.0035 0.0849 0.2544
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0246 0.0738
Schistosoma mansoni thyroid hormone receptor 0.002 0.0281 0.0051
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2932 0.2753
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0281 0.0051
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0849 0.089
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0457 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0849 0.1087
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0849 0.0618
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0849 0.2817
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0457 0.1466
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0246 0.0738
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0281 0.0051
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0849 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0246 0.0738
Leishmania major phosphopantetheinyl transferase-like protein 0.0023 0.0392 0.0544
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0281 0.0051
Loa Loa (eye worm) hypothetical protein 0.0035 0.0849 0.2745
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.2932 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0281 0.0766
Mycobacterium ulcerans polyketide synthase Pks13 0.0045 0.1195 0.215
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0281 0.0766
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.002 0.0268 0.2128
Echinococcus multilocularis L aminoadipate semialdehyde 0.0081 0.2527 0.3369
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0032 0.0721 0.1004
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0281 0.0051
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0281 0.051
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0024 0.0439 0.0436
Echinococcus granulosus tar DNA binding protein 0.0062 0.182 0.2324
Mycobacterium leprae Probable lipase LipE 0.0035 0.0849 0.1296
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0023 0.0392 0.0502
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0281 0.051
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0281 0.0766
Schistosoma mansoni tar DNA-binding protein 0.0062 0.182 0.2324
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2932 0.2753
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0246 0.0315
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0457 0.4696
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0281 0.0051
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0029 0.0619 0.0793
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0281 0.0051
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0226 0.7813 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0281 0.0766
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.0653 0.0922
Loa Loa (eye worm) hypothetical protein 0.0017 0.0171 0.0383
Mycobacterium leprae Polyketide synthase Pks13 0.0045 0.1195 0.2087
Loa Loa (eye worm) hypothetical protein 0.0025 0.0457 0.1381
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0281 0.0766
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0281 0.0766
Loa Loa (eye worm) hypothetical protein 0.0051 0.1398 0.4658
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.0721 0.0923
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0025 0.0453 0.058
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0093 0.2932 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0849 0.2745
Mycobacterium leprae conserved hypothetical protein 0.0023 0.0392 0.0253
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0849 0.089
Loa Loa (eye worm) hypothetical protein 0.0035 0.0849 0.2745
Loa Loa (eye worm) hypothetical protein 0.0081 0.2527 0.8591
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0281 0.051
Onchocerca volvulus 0.0028 0.0581 0.1133
Mycobacterium ulcerans hypothetical protein 0.0035 0.0849 0.1366
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0281 0.0051
Brugia malayi beta-lactamase family protein 0.0035 0.0849 0.2544
Loa Loa (eye worm) hypothetical protein 0.0035 0.0849 0.2745
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0281 0.0051
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0045 0.1195 0.153
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0281 0.051
Mycobacterium ulcerans polyketide synthase Pks9 0.002 0.0282 0.008
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0849 0.089
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0246 0.0387
Brugia malayi TAR-binding protein 0.0062 0.182 0.6021
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.014 0.4658 0.5962
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0281 0.051
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0023 0.0392 0.0331
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0849 0.1087
Echinococcus granulosus L aminoadipate semialdehyde 0.0081 0.2527 0.3369
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0281 0.051
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0849 0.1087
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2932 0.2753
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.0281 0.0051
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0849 0.089
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.014 0.4658 1
Leishmania major hypothetical protein, conserved 0.0035 0.0849 0.2244
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0246 0.0646
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0081 0.2527 0.8552
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0281 0.0051
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0849 0.1296
Toxoplasma gondii ABC1 family protein 0.0035 0.0849 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0849 0.0618
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0281 0.051
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0246 0.0738
Brugia malayi nuclear hormone receptor 0.002 0.0281 0.051
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0045 0.1195 0.153
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0246 0.0738
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2932 0.2753
Loa Loa (eye worm) RNA binding protein 0.0062 0.182 0.6128
Mycobacterium ulcerans lipase LipD 0.0035 0.0849 0.1366
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0457 0.0786
Schistosoma mansoni tar DNA-binding protein 0.0062 0.182 0.2324
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0281 0.0051
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.003 0.0653 0.0836
Echinococcus multilocularis tar DNA binding protein 0.0062 0.182 0.2324
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0457 0.1426
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0281 0.0051
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0246 0.0738
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.014 0.4658 1
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0023 0.0392 0.0331
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0246 0.0738
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0246 0.0738
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0246 0.0738
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0023 0.0392 0.5
Brugia malayi ecdysteroid receptor 0.002 0.0281 0.051
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0281 0.0051
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0246 0.0738
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0023 0.0392 0.3814
Onchocerca volvulus 0.0081 0.2527 0.8475
Brugia malayi beta-lactamase 0.0035 0.0849 0.2544
Loa Loa (eye worm) hypothetical protein 0.002 0.0281 0.0766
Toxoplasma gondii type I fatty acid synthase, putative 0.0032 0.0721 0.8266
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0281 0.0051
Brugia malayi nuclear receptor NHR-88 0.002 0.0281 0.051
Echinococcus multilocularis geminin 0.0205 0.7018 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.182 0.6128
Loa Loa (eye worm) hypothetical protein 0.002 0.0281 0.0766
Loa Loa (eye worm) hypothetical protein 0.002 0.0281 0.0766
Mycobacterium tuberculosis Conserved protein 0.0035 0.0849 0.1087
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.0392 0.1241
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.0653 0.0836
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0281 0.051
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0032 0.0721 0.0923
Onchocerca volvulus 0.0035 0.0849 0.2144
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.002 0.0282 0.008
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0281 0.0051
Trypanosoma brucei polo-like protein kinase 0.0093 0.2932 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0093 0.2932 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0281 0.0766
Schistosoma mansoni coup transcription factor 0.002 0.0281 0.0051
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0246 0.0738
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0246 0.0315
Entamoeba histolytica hypothetical protein 0.0023 0.0392 0.015
Trichomonas vaginalis esterase, putative 0.0035 0.0849 0.0618
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0024 0.0439 0.0359
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.0721 0.1076
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0032 0.0721 0.1004
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0281 0.051
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2932 0.2753
Mycobacterium leprae Probable polyketide synthase Pks1 0.0032 0.0721 0.1004
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0849 0.1366
Schistosoma mansoni hypothetical protein 0.0205 0.7018 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0849 0.2244
Echinococcus granulosus FTZ F1 alpha 0.002 0.0281 0.0051
Brugia malayi hypothetical protein 0.0025 0.0457 0.1143
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0281 0.051
Mycobacterium ulcerans thioesterase TesA 0.0025 0.047 0.0507
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0281 0.0051
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0281 0.0051
Schistosoma mansoni thyroid hormone receptor 0.002 0.0281 0.0051
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0281 0.0051
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0025 0.047 0.0431
Entamoeba histolytica serine/threonine protein kinase, putative 0.0093 0.2932 0.2753
Schistosoma mansoni nuclear hormone receptor 0.002 0.0281 0.0051
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2932 0.2753
Loa Loa (eye worm) hypothetical protein 0.0035 0.0849 0.2745
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0029 0.0619 0.0793
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.2932 1
Giardia lamblia Kinase, PLK 0.0093 0.2932 0.2753
Onchocerca volvulus 0.0035 0.0849 0.2144
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0032 0.0721 0.0923
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0849 0.1087
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0281 0.051
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0849 0.1366
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0849 0.0618
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0281 0.0051
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.003 0.0653 0.0848
Echinococcus granulosus geminin 0.0205 0.7018 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.0653 0.0922
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0457 0.0786
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0281 0.0051
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0246 0.0738
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.0653 0.0922
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0849 0.2544
Schistosoma mansoni tar DNA-binding protein 0.0062 0.182 0.2324
Onchocerca volvulus Fatty acid synthase homolog 0.0054 0.1533 0.4723
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.003 0.0653 0.0836
Mycobacterium tuberculosis Conserved protein 0.0035 0.0849 0.1087
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.1228 0.1006
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0093 0.2932 1
Mycobacterium tuberculosis Probable thioesterase TesA 0.0025 0.047 0.0602
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0849 0.1087
Brugia malayi AMP-binding enzyme family protein 0.0028 0.0581 0.1585
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0093 0.2932 0.3966
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0024 0.0439 0.0436
Brugia malayi steroid hormone receptor 0.002 0.0281 0.051
Brugia malayi RNA binding protein 0.0062 0.182 0.6021
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0849 0.1087
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0022 0.0344 0.0441
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0281 0.0051
Onchocerca volvulus 0.0052 0.1465 0.4466
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0281 0.051
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0023 0.0392 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0281 0.0051
Loa Loa (eye worm) hypothetical protein 0.002 0.0281 0.0766
Schistosoma mansoni hypothetical protein 0.0205 0.7018 1
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0023 0.0392 0.3814
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0849 0.1087
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.003 0.0653 0.1842
Schistosoma mansoni tar DNA-binding protein 0.0062 0.182 0.2324
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0028 0.0581 0.1811
Schistosoma mansoni tar DNA-binding protein 0.0062 0.182 0.2324
Schistosoma mansoni kinase 0.0047 0.1272 0.1515
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0093 0.2932 0.3966
Loa Loa (eye worm) fatty acid synthase 0.003 0.0638 0.2011
Onchocerca volvulus 0.0035 0.0849 0.2144
Loa Loa (eye worm) hypothetical protein 0.002 0.0281 0.0766
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0246 0.0738
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2932 0.2753
Loa Loa (eye worm) hypothetical protein 0.0019 0.0246 0.0646
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0457 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0849 0.0618
Loa Loa (eye worm) hypothetical protein 0.0035 0.0849 0.2745
Brugia malayi serine/threonine-protein kinase plk-2 0.0093 0.2932 1
Mycobacterium ulcerans polyketide synthase 0.003 0.0653 0.0922
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0017 0.018 0.023
Leishmania major hypothetical protein, conserved 0.0025 0.0457 0.0786
Toxoplasma gondii type I fatty acid synthase, putative 0.0021 0.0337 0.3065
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0281 0.051
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0028 0.0581 0.0743
Mycobacterium ulcerans polyketide synthase 0.0032 0.0721 0.1076
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0032 0.0721 0.1076
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0849 0.2244
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0281 0.051
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0281 0.0051
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0281 0.0051
Loa Loa (eye worm) TAR-binding protein 0.0062 0.182 0.6128
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0281 0.0051
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0246 0.0387
Loa Loa (eye worm) hypothetical protein 0.002 0.0281 0.0766
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0281 0.0766
Mycobacterium ulcerans beta-lactamase 0.0035 0.0849 0.1366

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 12.5 uM PubChem BioAssay. Dose response confirmation of small molecule inhibitors of the thioesterase domain of fatty acid synthase via a kinetic, fluorescence intensity assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 15.5 uM PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits of the thioesterase domain of fatty acid synthase via a fluorescence intensity assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.6109 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 25.929 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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